N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide

C19H31N3O2 — CID 146423617

IUPACN-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C
InChIInChI=1S/C19H31N3O2/c1-6-15-12-22(5)11-9-16(15)21-18(23)19(3,4)13-24-17-14(2)8-7-10-20-17/h7-8,10,15-16H,6,9,11-13H2,1-5H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyBWYRNJOJEXHYRA-HOTGVXAUSA-N
MW333.48 g/mol
LogP2.64
Rot. Bonds6

About N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide

N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide (PubChem CID 146423617) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
PubChem CID146423617
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C
InChIInChI=1S/C19H31N3O2/c1-6-15-12-22(5)11-9-16(15)21-18(23)19(3,4)13-24-17-14(2)8-7-10-20-17/h7-8,10,15-16H,6,9,11-13H2,1-5H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyBWYRNJOJEXHYRA-HOTGVXAUSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203
3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 146402445
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
2,2-dimethyl-N-[(3R,4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402182
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384468
2,2-dimethyl-N-[(4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146424085
N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384467
N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 146402076
2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402091
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 153338973
N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
CID 146424091
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
CID 161325478

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The IUPAC name of N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide (CID 146423617) is N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide is CC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C.
What is the InChIKey of N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The InChIKey is BWYRNJOJEXHYRA-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-15-12-22(5)11-9-16(15)21-18(23)19(3,4)13-24-17-14(2)8-7-10-20-17/h7-8,10,15-16H,6,9,11-13H2,1-5H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 146423617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).